5CUR

G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 20% [BMIM][Cl]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	47.721, 56.843, 64.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.500 - 1.302
R-factor	0.1222
Rwork	0.121
R-free	0.13760
RMSD bond length	0.008
RMSD bond angle	1.295
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.500	1.360
High resolution limit [Å]	1.290	1.290
Rmerge	0.044	0.068
Number of reflections	43021
<I/σ(I)>	15.7	8.9
Completeness [%]	96.5	97.2
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	35 % PEG 3350, 20 mM NaSO4, 0.1M ethanolamine, 10mM ZnCl2, pH 9.5